| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 18 | Yes |
Popular Name: 2-acetamido-N-(1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide 2-acetamido-N-(1H-1,2,4-triazol-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.13 | 4.77 | -21.69 | 3 | 8 | 0 | 113 | 246.23 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.06 | 3.27 | -46.36 | 2 | 8 | -1 | 119 | 245.222 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.13 | 4.58 | -50.22 | 2 | 8 | -1 | 111 | 245.222 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
